ethyl 2-[(5-aminocarbonyl-6-methylsulfanyl-4-oxidanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]ethanoate

Systemtic Name: ethyl 2-[(5-aminocarbonyl-6-methylsulfanyl-4-oxidanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]ethanoate Openeye Name: ethyl 2-[(5-carbamoyl-6-methylsulfanyl-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetate CAS Name: 2-[[5-carbamoyl-6-(methylthio)-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(5-carbamoyl-6-methylsulfanyl-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetate Traditional Name: 2-[[5-carbamoyl-4-keto-6-(methylthio)-1,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl]thio]acetic acid ethyl ester Formula: C12H14N4O4S2 MolecularWeight: 342.39396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=O)C2=C(N1)NC(=C2C(=O)N)SC

Isomeric SMILES

CCOC(=O)CSC1=NC(=O)C2=C(N1)NC(=C2C(=O)N)SC

InChI

InChI=1S/C12H14N4O4S2/c1-3-20-5(17)4-22-12-15-9-7(10(19)16-12)6(8(13)18)11(14-9)21-2/h3-4H2,1-2H3,(H2,13,18)(H2,14,15,16,19)